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csdn-code

个人CSDN博客 http://blog.csdn.net/dream_an 中涉及的源码

dp-chemts

A distributed framework based on Monte Carlo tree search for accelerating molecular discovery.

hourly-traffic-volume-on-minneapolis-i-94

Predicting hourly traffic volume between Minneapolis-St.Paul. Includes hourly weather features and holidays. Dataset contains data from 2012-2018

icml18-jtnn

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

islote.github.io

mala-hmc

Metropolis-adjusted Langevin algorithm and Hybrid (Hamiltionian) Monte Carlo

molecule-generation

Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation

multiobj-rationale

Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)

slepa

Self-Learning Entropic Population Annealing

weighted-retraining

wrapper-feature-selection-toolbox-python

This toolbox offers 13 wrapper feature selection methods (PSO, GA, GWO, HHO, BA, WOA, and etc.) with examples. It is simple and easy to implement.